N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C19H19F3N2O2 — CID 4583432

IUPACN-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCCCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)15-10-6-11-16(13-15)24-18(26)17(25)23-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,23,25)(H,24,26)
InChIKeyUBUDURCMPYVXEI-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.78
Rot. Bonds6

About N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 4583432) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID4583432
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCCCCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)15-10-6-11-16(13-15)24-18(26)17(25)23-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,23,25)(H,24,26)
InChIKeyUBUDURCMPYVXEI-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
CID 7541549
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N'-(4-phenylbutan-2-ylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3105090
1-[3-(4-chlorophenyl)propyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 100672636
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
1-(3-phenylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17371957
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501437
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 4583432) is N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCCCCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is UBUDURCMPYVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)15-10-6-11-16(13-15)24-18(26)17(25)23-12-5-4-9-14-7-2-1-3-8-14/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,23,25)(H,24,26).
What are the key properties of N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 364.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 4583432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).